Chemical Properties of Cyproheptadine

InChI

InChI=1S/C21H21N/c1-22-14-12-18(13-15-22)21-19-8-4-2-6-16(19)10-11-17-7-3-5-9-20(17)21/h2-11H,12-15H2,1H3

InChI Key

JJCFRYNCJDLXIK-UHFFFAOYSA-N

Formula

C21H21N

SMILES

CN1CCC(=C2c3ccccc3C=Cc3ccccc32)CC1

Molecular Weight¹

287.41

Other Names

• 1-Methyl-4-(5H-dibenzo[a,d]cycloheptenylidene)piperidine
• 4-(5H-Dibenzo(a,d)cyclohepten-5-ylidene)-1-methylpiperidine
• Cypoheptadine
• Cyproheptadiene
• Dronactin
• Eiproheptadine
• MK 141
• Periactin
• Periactine
• Periactinol
• Piperidine, 4-(5H-dibenzo[a,d]cyclohepten-5-ylidene)-1-methyl-

• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
IE	7.94 ± 0.06	eV	NIST
log10WS	[-3.09; -1.90]
log10WS	-3.09		Aq. Solubility Prediction
log10WS	-1.90		Rytting (2005)
logPoct/wat	4.698		Crippen Calculated Property
McVol	238.890	ml/mol	McGowan Calculated Property
Inp	[2333.00; 2400.00]
Inp	2356.00		NIST
Inp	2340.00		NIST
Inp	2400.00		NIST
Inp	2333.00		NIST
Inp	2355.00		NIST
Inp	2355.00		NIST
Inp	2360.00		NIST
Inp	2366.00		NIST
Inp	2366.00		NIST
Inp	2400.00		NIST
Inp	2366.00		NIST
Tfus	385.52	K	Aq. Solubility Prediction

Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Similar Compounds

Find more compounds similar to Cyproheptadine.

Sources

• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Aqueous Solubility Prediction Method
• Aqueous and cosolvent solubility data for drug-like organic compounds
• McGowan Method
• NIST Webbook

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.